tert-butyl 4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C16H20ClF3N2O4S MolecularWeight: 428.85421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C16H20ClF3N2O4S/c1-15(2,3)26-14(23)21-6-8-22(9-7-21)27(24,25)13-10-11(16(18,19)20)4-5-12(13)17/h4-5,10H,6-9H2,1-3H3